CID 43616604

1-(3,4-dihydro-2h-1,4-benzoxazin-4-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
C=CC(=O)N1CCOC2=CC=CC=C21
InChI
InChI=1S/C11H11NO2/c1-2-11(13)12-7-8-14-10-6-4-3-5-9(10)12/h2-6H,1,7-8H2
InChIKey
WUWFOBLSDLFCLG-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzoxazin-4-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.9
[M+Na]+ 212.068198 146.3
[M-H]- 188.071704 142.3
[M+NH4]+ 207.112803 156.8
[M+K]+ 228.042138 144.7
[M+H-H2O]+ 172.076240 132.1
[M+HCOO]- 234.077181 157.5
[M+CH3COO]- 248.092831 181.8
[M+Na-2H]- 210.053646 146.3
[M]+ 189.07843142 137.7
[M]- 189.07952858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe